1,3-bis[2-butyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-6-yl]urea

Systemtic Name: 1,3-bis[2-butyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-6-yl]urea Openeye Name: 1,3-bis(2-butyl-1,3-dioxo-benzo[de]isoquinolin-6-yl)urea CAS Name: 1,3-bis(2-butyl-1,3-dioxo-6-benzo[de]isoquinolinyl)urea IUPAC Name: 1,3-bis(2-butyl-1,3-dioxobenzo[de]isoquinolin-6-yl)urea Traditional Name: 1,3-bis(2-butyl-1,3-diketo-benzo[de]isoquinolin-6-yl)urea Formula: C33H30N4O5 MolecularWeight: 562.6151

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C3C(=C(C=C2)NC(=O)NC4=C5C=CC=C6C5=C(C=C4)C(=O)N(C6=O)CCCC)C=CC=C3C1=O

Isomeric SMILES

CCCCN1C(=O)C2=C3C(=C(C=C2)NC(=O)NC4=C5C=CC=C6C5=C(C=C4)C(=O)N(C6=O)CCCC)C=CC=C3C1=O

InChI

InChI=1S/C33H30N4O5/c1-3-5-17-36-29(38)21-11-7-9-19-25(15-13-23(27(19)21)31(36)40)34-33(42)35-26-16-14-24-28-20(26)10-8-12-22(28)30(39)37(32(24)41)18-6-4-2/h7-16H,3-6,17-18H2,1-2H3,(H2,34,35,42)